4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]benzoate Formula: C20H16N3O3S- MolecularWeight: 378.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-13-21-17(14-5-3-2-4-6-14)11-19(22-13)27-12-18(24)23-16-9-7-15(8-10-16)20(25)26/h2-11H,12H2,1H3,(H,23,24)(H,25,26)/p-1